5-Methyltryptamine
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Basic information
- CAS
1821-47-2- Standard SMILES
Cc1ccc2[nH]cc(CCN)c2c1- InChIKey
PYOUAIQXJALPKW-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- 5-Methyltryptamine
- IUPAC
- 2-(5-methyl-1H-indol-3-yl)ethanamine
- English name
- 5-Methyltryptamine hydrochloride
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
5-Methyltryptamine1821-47-2DTXSID10171250RefChem:913541DTXCID70937412-(5-methyl-1H-indol-3-yl)ethanamine2-(5-methyl-1H-indol-3-yl)ethan-1-amine5-Methyl-3-(aminoethyl)indoleINDOLE, 3-(AMINOETHYL)-5-METHYL-CHEMBL3312411H-Indole-3-ethanamine, 5-methyl2-(5-Methyl-1H-indol-3-yl)-ethylamine
Show more names
5-MeTTIMTEC-BB SBB0034405-METHYLTRYPTAMINE HCL3-(aminoethyl)-5-methyl-indol5-Methyl-1H-Indole-3-ethanaMine
2-(5-methyl-1~{H}-indol-3-yl)ethanamine2-(5-methylindol-3-yl)ethylamineNSC 908055-metyltryptamine[2-(5-methyl-1H-indol-3-yl)ethyl]amine hydrochlorideTryptamine, 5-methyl5-methylpydidin-2-olMaybridge3_000089
Database identifiers
- CAS
1821-47-2- PubChem CID
- 15760
- DTXSID
DTXSID10171250- ChEMBL
CHEMBL331241- ChEBI
CHEBI:125675- Nikkaji
- J46.768E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
Kovats Retention Index1795
Physicochemical properties
- Melting point
- 290 · 290-292 °C
- Boiling point
- 355.3 · 355.3±27.0 °C(Predicted)
- Density
- 1.126 · 1.126
- storage temp.
- 0 · 0-6°C
- pka
- 17.38 · 17.38±0.30(Predicted)
- CAS DataBase Reference
- 1821 · 1821-47-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 10 · 10
- Toxicity
- 50 · mouse,LD50,intravenous,50mg/kg (50mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12006,
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 3
- Toxicity
- mouse,LD50,intravenous,50mg/kg (50mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12006,
- safety_code
- 22-24/25
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 2-(5-methyl-1H-indol-3-yl)ethanamine is a member of tryptamines.
Suppliers
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Related reactions
7 records
Compound notes
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